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(2''S,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylthio]-benzothiazole
SpectraBase Compound ID ILQTlVjEm7E
InChI InChI=1S/C18H23NO2S2/c1-13-8-11-18(20-13)10-4-5-14(21-18)9-12-22-17-19-15-6-2-3-7-16(15)23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-,14-,18+/m0/s1
InChIKey QXAINXWOPAQRRH-SUNYJGFJSA-N
Mol Weight 349.51 g/mol
Molecular Formula C18H23NO2S2
Exact Mass 349.117021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yAVBBb1pDj
Name (2''S,5''R,7''S)-2-[2'-(2''-Methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)ethylthio]-benzothiazole
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Formula C18H23NO2S2
InChI InChI=1S/C18H23NO2S2/c1-13-8-11-18(20-13)10-4-5-14(21-18)9-12-22-17-19-15-6-2-3-7-16(15)23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3/t13-,14-,18+/m0/s1
InChIKey QXAINXWOPAQRRH-SUNYJGFJSA-N
Molecular Weight 349.507 g/mol
SMILES c1(nc2ccccc2s1)SCC[C@]1(O[C@]2(O[C@@](C)(CC2)[H])CCC1)[H]
SPLASH splash10-02u4-5900000000-f1621c517e7bd9c84c30
Source of Spectrum F5-5-2577-29a
Synonyms 2-((2-((2S,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)thio)benzo[d]thiazole 2-[2-[(2S,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethylsulfanyl]-1,3-benzothiazole
Wiley ID 1733268